| SpectraBase Compound ID | DcnXK8R8MCf |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)13(15)16-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChIKey | AZALUWOEXZETRW-UHFFFAOYSA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH3qwYhDXFl |
|---|---|
| Name | N-Methylproline, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)13(15)16-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChIKey | AZALUWOEXZETRW-UHFFFAOYSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C1=C(C=CC=C1)COC(=O)C1N(CCC1)C |